N-(2-bromophenyl)-3-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]propanamide

Systemtic Name: N-(2-bromophenyl)-3-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]propanamide Openeye Name: N-(2-bromophenyl)-3-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]propanamide CAS Name: N-(2-bromophenyl)-3-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)thio]propanamide IUPAC Name: N-(2-bromophenyl)-3-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]propanamide Traditional Name: N-(2-bromophenyl)-3-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)thio]propionamide Formula: C19H18BrN3OS MolecularWeight: 416.33472

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C=C(C(=N2)SCCC(=O)NC3=CC=CC=C3Br)C#N

Isomeric SMILES

C1CCC2=C(C1)C=C(C(=N2)SCCC(=O)NC3=CC=CC=C3Br)C#N

InChI

InChI=1S/C19H18BrN3OS/c20-15-6-2-4-8-17(15)22-18(24)9-10-25-19-14(12-21)11-13-5-1-3-7-16(13)23-19/h2,4,6,8,11H,1,3,5,7,9-10H2,(H,22,24)